Account ZINC000104379474
- Catalog No. :
- ACAWDO999
- CAS No. :
- 1135190-41-8
- Molecular Formula :
- C27H33N3O10
- Molecular Weight :
- 559.57
IUPAC Name:4-((((((4S,4aS,5aS,6S,12aS,E)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracen-2(1H)-ylidene)(hydroxy)methyl)amino)methyl)amino)butanoic acid
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Product Information
| Product Name | ZINC000104379474 |
|---|---|
| IUPAC Name | 4-((((((4S,4aS,5aS,6S,12aS,E)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracen-2(1H)-ylidene)(hydroxy)methyl)amino)methyl)amino)butanoic acid |
| Molecular Formula | C27H33N3O10 |
| Molecular Weight | 559.57 |
| SMILES | CN(C)[C@@H]1C(=O)/C(=C(\O)NCNCCCC(=O)O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]12 |
| InChI Key | NUSRTTUPKAHCPG-QFHLJYQSSA-N |
| Synonym | Butanoic acid, 4-[[[[(E)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,4,4a,5,5a,6,12,12a-octahydro-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-2(1H)-naphthacenylidene]hydroxymethyl]amino]methyl]amino]- |
| CAS No. | 1135190-41-8 |
Synthetic Route by SureRoute
2. ACAWDO999 Molecular Building Block Synthetic Route
(1S,4aR,11S,11aR,12S,12aR)-3-acetyl-1-(dimethylamino)-4,4a,6,7,11,12-hexahydroxy-11-methyl-11,11a,12,12a-tetrahydrotetracene-2,5(1H,4aH)-dione
4-(Dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-1,2,3,4,4a,5,5a,6,12,12a-decahydrotetracene-2-carboxamide
(1S,4aR,11R,11aR,12S,12aR)-3-acetyl-1-(dimethylamino)-4,4a,6,7,12-pentahydroxy-11-methyl-11,11a,12,12a-tetrahydrotetracene-2,5(1H,4aH)-dione